![methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate structure](/static/products/7019/701933-38-2.webp)
methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate
TL;DR: methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate (CAS 701933-38-2) is a chemical compound with molecular formula C18H21N3O3S3 and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate, methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-(2-(methylthio)phenyl)thioureido)thiophene-3-carboxylate, methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate, methyl 5-(N,N-dimethylcarbamoyl)-4-methyl-2-({[(2-methylthiophenyl)amino]thiox omethyl}amino)thiophene-3-carboxylate
| Molecular Formula | C18H21N3O3S3 |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 4.07572 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0745 |
| Heavy Atoms | 27 |
| Complexity | 877.97705 |
Chemical Identifiers
| CAS Number | 701933-38-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC)C(=O)N(C)C |
Product Overview
methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate (CAS 701933-38-2), with molecular formula C18H21N3O3S3 and molecular weight 423.07 g/mol. IUPAC: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate
Property Insights of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate
The XLogP value of 4.07572 indicates that methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
The CAS number of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is 701933-38-2.
What is the molecular formula of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
The molecular formula of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is C18H21N3O3S3.
What is the molecular weight of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
The molecular weight of methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is 423.07 g/mol.
Where can I buy methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
You can request a quote for methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.